| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 05:32:33 UTC |
|---|
| Update Date | 2025-03-24 14:28:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00849133 |
|---|
| Frequency | 1.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H12NO2+ |
|---|
| Molecular Mass | 118.0863 |
|---|
| SMILES | CCCO[N+](=O)CC |
|---|
| InChI Key | GUXBUKXQNZQHLL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic 1,3-dipolar compounds |
|---|
| Class | allyl-type 1,3-dipolar organic compounds |
|---|
| Subclass | organic nitro compounds |
|---|
| Direct Parent | organic nitro compounds |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl nitriteshydrocarbon derivativesn-organohydroxylaminesorganic cationsorganic oxidesorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundn-organohydroxylamineorganic nitro compoundalkyl nitriteorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic oxoazaniumorganooxygen compound |
|---|
